1-(4-methylphenyl)-3-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea

Systemtic Name: 1-(4-methylphenyl)-3-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea Openeye Name: 1-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methyl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[[(2S)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methyl]urea IUPAC Name: 1-(4-methylphenyl)-3-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea Traditional Name: 1-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methyl]-3-(p-tolyl)urea Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCC2C[NH+](CCO2)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC[C@H]2C[NH+](CCO2)CC(C)C

InChI

InChI=1S/C17H27N3O2/c1-13(2)11-20-8-9-22-16(12-20)10-18-17(21)19-15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3,(H2,18,19,21)/p+1/t16-/m0/s1